Molecule Details
| InChIKey | ADDFHWGEAOKELS-UHFFFAOYSA-N |
|---|---|
| Compound Name | US9580437, Example 17 |
| Canonical SMILES | c1cc(CNc2ncc(-c3ccncc3)c3nncn23)c2c(c1)OCC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.36 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75530 | EED | Homo sapiens | Human | PF00400 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q15022 | SUZ12 | Homo sapiens | Human | PF09733 PF23320 | 7.8 | IC50 | ChEMBL |
| Q15910 | EZH2 | Homo sapiens | Human | PF21358 PF11616 PF18118 PF18264 PF00856 | 7.8 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.8 | IC50 | ChEMBL |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.7 | IC50 | ChEMBL |